3-Bromo-2-methoxy-5-methylphenylboronic acid
Product Information
Molecular Formula
C8H10BBrO3
Molecular Weight
244.88
Description
3-Bromo-2-methoxy-5-methylphenylboronic acid is a valuable compound utilized in the field of biomedicine. It acts as a crucial reagent in medicinal chemistry by participating in boronate ester formation enabling the synthesis of potential drugs. The compound demonstrates efficacy in treating various diseases such as cancer, inflammation, and metabolic disorders. Its unique chemical structure and potential therapeutic applications make it a significant tool in biomedical research and drug development.
Synonyms
3-Bromo-5-methyl-2-methoxyphenylboronic acid
IUPAC Name
(3-bromo-2-methoxy-5-methylphenyl)boronic acid
SMILES
B(C1=CC(=CC(=C1OC)Br)C)(O)O
InChI
InChI=1S/C8H10BBrO3/c1-5-3-6(9(11)12)8(13-2)7(10)4-5/h3-4,11-12H,1-2H3
InChI Key
WHQCYDMSPACJBE-UHFFFAOYSA-N
Melting Point
102-106 °C (lit.)
Safety Information
Hazards
H315-H319-H335
Precautionary Statement
P261-P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
243.99064 g/mol
Monoisotopic Mass
243.99064 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
168
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
| EP-2059227-A2 | Polymer systems for lung volume reduction therapy | 2006-09-26 |
| US-2010040538-A1 | Polymer Systems for Lung Volume Reduction Therapy | 2006-09-26 |
| US-8361484-B2 | Polymer systems for lung volume reduction therapy | 2006-09-26 |
| WO-2008039827-A2 | Polymer systems for lung volume reduction therapy | 2006-09-26 |
